Small bug fix in slater_condon. Restructuring of how to deal with est integrals when there are missing blocks. #100
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name: CI | |
on: [push, pull_request] | |
jobs: | |
build: | |
runs-on: ${{ matrix.os }} | |
strategy: | |
matrix: | |
os: [ubuntu-latest, macos-latest] | |
steps: | |
- name: Install dependencies (Linux) | |
run: | | |
sudo apt-get install doxygen | |
sudo apt-get install libopenblas-dev | |
if: matrix.os == 'ubuntu-latest' | |
- name: Install dependencies (macOS) | |
run: | | |
brew install doxygen automake | |
brew reinstall gcc | |
if: matrix.os == 'macos-latest' | |
- name: Checkout | |
uses: actions/checkout@v2.3.4 | |
- name: Before install | |
run: | | |
mkdir gauopen | |
mkdir mqc-install | |
cd gauopen | |
wget http://gaussian.com/g16/gauopen_v2.zip | |
unzip gauopen_v2.zip | |
cd .. | |
pwd | |
ls | |
- name: Install | |
run: | | |
echo -e "yG$GITHUB_WORKSPACE/mqc-install\n-lblas\n-llapack\n$GITHUB_WORKSPACE/gauopen\ny\nn\n" | ./mqc_install && doxygen doc/Doxyfile | |